new dictionary and pdb2cif

Herbert J. Bernstein (yaya@bernstein-plus-sons.com)
Fri, 24 Jan 1997 23:22:37 -0400


The following tokens appear to have been in cifdic.m96 0.8.2, but appear
not to be in cifdic.m97 0.8.10.  There may be other such cases, but I
spotted these because all are referenced in pdb2cif.  The first sixteen are
of particular concern for this application.  I have not yet checked if
replacement tokens were provided, but I would suggest that, even if a token
needs replacement, that the former token be retained for a significant
period of time to provide a stable base for creation of software.
        -- H. J. Bernstein


  _atom_sites.frac_transf_matrix[1][1]
  _atom_sites.frac_transf_matrix[1][2]
  _atom_sites.frac_transf_matrix[1][3]
  _atom_sites.frac_transf_matrix[2][1]
  _atom_sites.frac_transf_matrix[2][2]
  _atom_sites.frac_transf_matrix[2][3]
  _atom_sites.frac_transf_matrix[3][1]
  _atom_sites.frac_transf_matrix[3][2]
  _atom_sites.frac_transf_matrix[3][3]
  _atom_sites.frac_transf_vector[1]
  _atom_sites.frac_transf_vector[2]
  _atom_sites.frac_transf_vector[3]
  _citation.book_coden_ISBN
  _citation.journal_coden_ASTM
  _citation.journal_coden_CSD
  _citation.journal_coden_ISSN
  _diffrn_measurement.device_specific
  _diffrn_radiation.detector
  _diffrn_radiation.detector_details
  _diffrn_radiation.detector_dtime
  _diffrn_radiation.detector_type
  _diffrn_radiation.source
  _diffrn_radiation.source_details
  _diffrn_radiation.source_power
  _diffrn_radiation.source_specific
  _diffrn_radiation.source_target
  _diffrn_radiation.source_type
  _diffrn_radiation.wavelength
  _diffrn_radiation.wavelength_wt
  _diffrn_refln.crystal_id


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